4-(2-oxopropoxy)-1H-pyridin-2-one

C8H9NO3 — CID 59526871

IUPAC4-(2-oxopropoxy)-1H-pyridin-2-one
SMILESCC(=O)COc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-6(10)5-12-7-2-3-9-8(11)4-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyCBDMDZHRCDZFIB-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.34
Rot. Bonds3

About 4-(2-oxopropoxy)-1H-pyridin-2-one

4-(2-oxopropoxy)-1H-pyridin-2-one (PubChem CID 59526871) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-(2-oxopropoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2-oxopropoxy)-1H-pyridin-2-one
PubChem CID59526871
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name4-(2-oxopropoxy)-1H-pyridin-2-one
SMILESCC(=O)COc1cc[nH]c(=O)c1
InChIInChI=1S/C8H9NO3/c1-6(10)5-12-7-2-3-9-8(11)4-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyCBDMDZHRCDZFIB-UHFFFAOYSA-N
XLogP0.34
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopropoxy)-1H-pyridin-2-one?
The IUPAC name of 4-(2-oxopropoxy)-1H-pyridin-2-one (CID 59526871) is 4-(2-oxopropoxy)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-oxopropoxy)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-oxopropoxy)-1H-pyridin-2-one is CC(=O)COc1cc[nH]c(=O)c1.
What is the InChIKey of 4-(2-oxopropoxy)-1H-pyridin-2-one?
The InChIKey is CBDMDZHRCDZFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-6(10)5-12-7-2-3-9-8(11)4-7/h2-4H,5H2,1H3,(H,9,11).
What are the key properties of 4-(2-oxopropoxy)-1H-pyridin-2-one?
4-(2-oxopropoxy)-1H-pyridin-2-one has a molecular weight of 167.16 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopropoxy)-1H-pyridin-2-one is sourced from PubChem (CID 59526871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).